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ChemSpider 2D Image | Bicyclo[2.2.1]hepta-1,3-dien-7-one | C7H6O

Bicyclo[2.2.1]hepta-1,3-dien-7-one

  • Molecular FormulaC7H6O
  • Average mass106.122 Da
  • Monoisotopic mass106.041862 Da
  • ChemSpider ID26947087

More details:

Date of deprecation: 16:22, Feb 13, 2018
Reason for deprecation: Deprecate record: Dubious bridge-head double bonds. Supposed to be norbornadienone.

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Bicyclo[2.2.1]hepta-1,3-dien-7-on [German] [ACD/IUPAC Name]
Bicyclo[2.2.1]hepta-1,3-dien-7-one [ACD/Index Name] [ACD/IUPAC Name]
Bicyclo[2.2.1]hepta-1,3-dién-7-one [French] [ACD/IUPAC Name]
7-norbornadienone

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 268.4±7.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.6±3.0 kJ/mol
Flash Point: 115.4±13.1 °C
Index of Refraction: 1.576
Molar Refractivity: 29.8±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.58
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 10.75
ACD/KOC (pH 5.5): 190.50
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 10.75
ACD/KOC (pH 7.4): 190.50
Polar Surface Area: 17 Å2
Polarizability: 11.8±0.5 10-24cm3
Surface Tension: 38.2±5.0 dyne/cm
Molar Volume: 90.2±5.0 cm3

Click to predict properties on the Chemicalize site


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